1,2,3-trifluoro-5-[2-fluoro-4-[2-(2-fluoro-4-propylphenyl)ethyl]phenyl]benzene

C23H19F5 — CID 18513410

IUPAC1,2,3-trifluoro-5-[2-fluoro-4-[2-(2-fluoro-4-propylphenyl)ethyl]phenyl]benzene
SMILESCCCc1ccc(CCc2ccc(-c3cc(F)c(F)c(F)c3)c(F)c2)c(F)c1
InChIInChI=1S/C23H19F5/c1-2-3-14-4-7-16(19(24)10-14)8-5-15-6-9-18(20(25)11-15)17-12-21(26)23(28)22(27)13-17/h4,6-7,9-13H,2-3,5,8H2,1H3
InChIKeyPDXFTRLPSLHGRE-UHFFFAOYSA-N
MW390.40 g/mol
LogP6.79
Rot. Bonds6

About 1,2,3-trifluoro-5-[2-fluoro-4-[2-(2-fluoro-4-propylphenyl)ethyl]phenyl]benzene

1,2,3-trifluoro-5-[2-fluoro-4-[2-(2-fluoro-4-propylphenyl)ethyl]phenyl]benzene (PubChem CID 18513410) has the molecular formula C23H19F5 and a molecular weight of 390.40 g/mol. Its IUPAC name is 1,2,3-trifluoro-5-[2-fluoro-4-[2-(2-fluoro-4-propylphenyl)ethyl]phenyl]benzene.

Molecular Properties

Compound Name1,2,3-trifluoro-5-[2-fluoro-4-[2-(2-fluoro-4-propylphenyl)ethyl]phenyl]benzene
PubChem CID18513410
Molecular FormulaC23H19F5
Molecular Weight390.40 g/mol
Exact Mass390.14
IUPAC Name1,2,3-trifluoro-5-[2-fluoro-4-[2-(2-fluoro-4-propylphenyl)ethyl]phenyl]benzene
SMILESCCCc1ccc(CCc2ccc(-c3cc(F)c(F)c(F)c3)c(F)c2)c(F)c1
InChIInChI=1S/C23H19F5/c1-2-3-14-4-7-16(19(24)10-14)8-5-15-6-9-18(20(25)11-15)17-12-21(26)23(28)22(27)13-17/h4,6-7,9-13H,2-3,5,8H2,1H3
InChIKeyPDXFTRLPSLHGRE-UHFFFAOYSA-N
XLogP6.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.40
LogP ≤ 56.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

fluoromethane;1,2,3-trifluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene
CID 161382729
ethane;1,2,3-trifluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene
CID 144658313
2,3-difluoro-1-(2-fluoro-4-propylphenyl)-4-[4-[2-(3,4,5-trifluorophenyl)ethyl]phenyl]benzene
CID 118858881
2,3-dichloro-1-(4-propylphenyl)-4-[2-(3,4,5-trifluorophenyl)ethyl]benzene
CID 118858550
1,2-difluoro-4-[[2-fluoro-4-(2-fluoro-4-propylphenyl)phenyl]methoxy]benzene
CID 18513414
2-fluoro-4-[2-(4-methoxyphenyl)ethyl]-1-(4-propylphenyl)benzene
CID 19906916
1,3-difluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]-2-[(3,4,5-trifluorophenyl)methoxy]benzene
CID 90410644
4-(2-bromoethyl)-2-fluoro-1-propylbenzene
CID 19988249
1,2-difluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]-3-iodobenzene
CID 122546409
5-[4-[1,2-difluoro-2-[4-(4-propylphenyl)phenyl]ethenyl]-2-fluorophenyl]-1,2,3-trifluorobenzene
CID 123579060
5-[4-[4-(4-butylphenyl)-2-fluorophenyl]-2-fluorophenyl]-1,2,3-trifluorobenzene;5-[4-[4-(4-ethylphenyl)-2-fluorophenyl]-2-fluorophenyl]-1,2,3-trifluorobenzene;1,2,3-trifluoro-5-[2-fluoro-4-[2-fluoro-4-(4-propylphenyl)phenyl]phenyl]benzene
CID 144696214
2-[4-(2-fluoro-4-propylphenyl)phenyl]ethanol
CID 134432733

Frequently Asked Questions

What is the IUPAC name of 1,2,3-trifluoro-5-[2-fluoro-4-[2-(2-fluoro-4-propylphenyl)ethyl]phenyl]benzene?
The IUPAC name of 1,2,3-trifluoro-5-[2-fluoro-4-[2-(2-fluoro-4-propylphenyl)ethyl]phenyl]benzene (CID 18513410) is 1,2,3-trifluoro-5-[2-fluoro-4-[2-(2-fluoro-4-propylphenyl)ethyl]phenyl]benzene.
What is the SMILES notation for 1,2,3-trifluoro-5-[2-fluoro-4-[2-(2-fluoro-4-propylphenyl)ethyl]phenyl]benzene?
The canonical SMILES for 1,2,3-trifluoro-5-[2-fluoro-4-[2-(2-fluoro-4-propylphenyl)ethyl]phenyl]benzene is CCCc1ccc(CCc2ccc(-c3cc(F)c(F)c(F)c3)c(F)c2)c(F)c1.
What is the InChIKey of 1,2,3-trifluoro-5-[2-fluoro-4-[2-(2-fluoro-4-propylphenyl)ethyl]phenyl]benzene?
The InChIKey is PDXFTRLPSLHGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F5/c1-2-3-14-4-7-16(19(24)10-14)8-5-15-6-9-18(20(25)11-15)17-12-21(26)23(28)22(27)13-17/h4,6-7,9-13H,2-3,5,8H2,1H3.
What are the key properties of 1,2,3-trifluoro-5-[2-fluoro-4-[2-(2-fluoro-4-propylphenyl)ethyl]phenyl]benzene?
1,2,3-trifluoro-5-[2-fluoro-4-[2-(2-fluoro-4-propylphenyl)ethyl]phenyl]benzene has a molecular weight of 390.40 g/mol, XLogP of 6.79, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trifluoro-5-[2-fluoro-4-[2-(2-fluoro-4-propylphenyl)ethyl]phenyl]benzene is sourced from PubChem (CID 18513410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).